5.8(top 5%)
impact factor
9.8K(top 2%)
papers
504.6K(top 1%)
citations
249(top 1%)
h-index
5.9(top 5%)
extended IF
11.1K
all documents
548.8K
doc citations
477(top 1%)
g-index

Top Authors (by articles)

#NameArticlesCitationsR ARankR CRank
1Donald G Truhlar1387711
2Vicenzo Barone1085111
3Pavel Hobza899111
4Benoit Roux71.4K11
5Michal Otyepka668811
6Jan Řezáč586311
6Carlo Adamo590612
6Benedetta Mennucci596911
6Robert B Best581111
6J Andrew Mccammon521813
11Roland H Lindh420811
11Ulf Ryde423911
11Markus Meuwly411911
11Jochen Autschbach424511
11Giacomo Prampolini414611
11Gregory A Voth427022
11Denis Jacquemin453323
11Jacob Kongsted424211
11Paolo Carloni49112
11Patrick Bultinck427911
11Vijay S Pande469111
11Adrian H Elcock422011
11Michael R Shirts41.1K12
11Fabrizio Santoro438211
25Christopher Cramer331412
25Laura Gagliardi316723
25D Peter Tieleman31.5K21
25Michele Parrinello317824
25Jean-Philip Piquemal352611
25Walter Thiel310248
25Cheng Shang351511
25Omar Valsson317911
25Satoshi Maeda313313
25Michael Feig322911
25Bun Chan314411
25Andreas Heßelmann311511
25Alexandre Tkatchenko365312
25Claudia Filippi321811
25Zhi-Pan Liu351511
25Matteo Dal Peraro311212
25Thomas Frauenheim313624
25Matúš Dubecký315811
25Juan Fernandez-Recio35813
25Francesco Paesani364811
25Filippo Lipparini323311
25Samer Gozem326511
25Juerg Hutter323311
25Kwang S Kim318115
25Massimo Olivucci326511
25Christophe Chipot361511
25Kenneth Ruud315511
25Paul Ayers334621
25Xiao Cheng Zeng38126
25Frank Neese332947
55Florian Weigend231511
55Ivano Tavernelli211314
55Johannes Kästner22913
55Bobby G Sumpter26935
55Daniel Roca-Sanjuán29511
55Arianna Fornili27312
55Stefano Corni226621
55Joachim Dzubiella24014
55Anna I Krylov216416
55Leeor Kronik24126
55Mark S Gordon210813
55Pär Söderhjelm218711
55Adam Liwo24913
55Maciej Haranczyk23617
55Kim Baldridge22414
55Bálint Aradi212411
55Tong Zhu211911
55Chiara Cappelli211711
55Sason Shaik218114
55Guillaume Lamoureux24911
55Igor Schapiro223311
55Brian K Radak213811
55Christian Kramer29213
55Carolin König214211
55Gregory R Medders216911
55Woody Sherman223325
55Pablo Campomanes211211
55Angela K Wilson211411
55Joel Bowman24923
55Gerd B Rocha213411
55Stefan Knecht219111
55Ivo Cacelli24512
55Michal Pitoňák233311
55Ignacio Fdez Galván22612
55Joost VandeVondele216211
55Narbe Mardirossian216211
55James C Gumbart254112
55Michael Filatov217411
55Richard A Friesner25012
55Xavier Periole21.5K11
55Masahiro Ehara28121
55Miho Isegawa27911
55François Gygi213911
55Leonardo Guidoni27213
55Benjamin G Janesko23412
55Manuel A Aguilar22612
55Josep M Luis23925
55György Vankó218811
55Franca Fraternali27322
55J Samuel Arey217511
55Marcus Elstner297311
55Susanna Monti211822
55Sergei V Krivov27611
55Radek Marek212511
55Petr Jurečka237312
55Steffen Lindert28113
55Xiao He28812
55Chris Oostenbrink213511
55Wesley D Allen26312
55Martin Head-Gordon216224
55Joseph R Lane257111
55Kenji Yasuoka24414
55Giovanni Scalmani29811
55Gareth A Tribello216211
55Mátyás I Pápai218811
55Uğur Bozkaya26722
55Esam A Orabi24911
55Ilaria Ciofini210223
55Carole A Morrison27713
55C David Sherrill221123
55Nicolas Ferré213211
55Daniel R Roe27.1K11
55Stefan Grimme249532
55(null)21.4K21
55Pritam Ganguly221012
55Harold A Scheraga24912
55Gerald Knizia21.3K11
55Petr Lazar26013
55Jens Kleinjung25711
55David J Tozer26212
55Johannes Neugebauer214211
55Carles Pons21714
55Bo Li24011
55Darrin M York213811
55Peter Eastman270711
55Ke R Yang210413
55Toshifumi Mori28111
55Brian Space26525
55Henry F Schaefer28742
55Aleksandr V Marenich227811
55Thomas E Cheatham26.9K21
55Riccardo Baron24014
55Hui Chen211312
55Christopher R Iacovella28611
55Jean-Paul Malrieu23811
55Paul Andrew Johnson225911
55Celestino Angeli211011
55Giulia Palermo27411
55Em Prof Paul Geerlings27911
55Francesc Illas Riera226631
55Thomas Heine226636
55Nico F A Van Der Vegt221013
55Irina Moreira210711
55Ryoichi Fukuda28111
55Bernd Engels25813
55Alessandro Ferretti24511
55Shunyang Wang286011
55Jingjing Zheng220611
55Jean Jules Fifen214511
55Niranjan Govind210611
55Adrian E Roitberg25313
55John Z H Zhang211912
55Marco De Vivo27411
55Julien Bloino245611
55Francesco Aquilante212911
55Yuki Kurashige216912
55Lanyuan Lu24112
55Javier Cerezo229311
55Hans Ågren24216
55Ciro A Guido254311
55Keith Mclaughlin26512
55Christian R Cioce26512
55Michael Gaus297311
55Volodymyr Babin261411
55Zhixiong Lin22222
55Robin Chaudret227011
55Azzam Charaf-Eddin234411
182Emil Alexov151231
182Jay W Ponder161311
182Joseph E Basconi138911
182Kyle A Beauchamp166711
182Chihaya Adachi1329107
182Lin Li151211
182Tetsuya Nakagawa132923
182Ibon Alkorta126692
182Grégoire Montavon154911
182O Anatole Von Lilienfeld154912
182Antonio Frontera126683
182Garnet Chan128811
182Alexander D Mackerell136862
182Nathan Luehr137511
182Qian Peng124511
182Alberto Baiardi137811
182Jing Huang136812
182Jan M L Martin149631
182Qisheng Zhang132912
182Matthias Scheffler154951
182Zhe Zhang151221
182Pengfei Li171011
182Matthias S Rupp154912
182Klaus-Robert Müller154932
182Chuanjie Wu161311
182Jeng-Da Chai177411
182Todd J Martinez137511
182Oleg Prezhdo173841
182Pengyu Ren161331
182Antonio Bauzá126663
182Kazunari Yoshizawa132921
182Tsjerk A Wassenaar11.4K11
182Carlos L Simmerling149611
182Henrik G Kjaergaard145932
182Xing Gao124511
182Alexey V Akimov173821
182Andreas W Götz13.2K11
182F Javier Luque127521
182Lars V Schäfer11.4K11
182Jose Elguero126672
182Alexander P Lyubartsev127021
182Robert Sedlak132311
182John D Chodera166711
182Ferdinand Evers125521
182Yoshihito Shiota132921
182Pietro Cortona140911
182Ivan S Ufimtsev137511
182Sebastian Kozuch149621
182Siamac Fazli154911
182Zhigang Shuai124543
182Diwakar Shukla166711
182Peter Pulay132311
182Joy P Ku166711
182Shu-Ping Huang132911
182Clément Arnarez11.4K11
182Christopher M Bruns166711
182Christoph Klein166711
182Scott Le Grand13.2K11
182Yun Luo136811
182Dhruva K Chakravorty171011
182Guan-De Li177411
182Hai Nguyen149611
182Yue Shi161311
182Pedro E M Lopes136811